SCHEMBL3064286

SCHEMBL3064286

CCN(CC)c1ccc(N(Cc2cccc(N(CC)C3CC3)c2)C(=O)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.41
CNR1 P21554 2/20 0.41
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR1 P21453 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
GFER P55789 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3059109 0.90 ACHE (0.39) MEN1CYP3A4CYP2C9CYP2C19KMT2A
Hydrochloric Acid SCHEMBL3064216 0.89 ACHE (0.39) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL8174032 0.88 ITGB1 (0.37) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3064159 0.78 CHRM1 (0.42) MEN1KMT2AHDAC6CHRM2CHRM1
SCHEMBL3063855 0.77 RIPK1 (0.43) CNR2CNR1MEN1CYP3A4CYP2C9
SCHEMBL3821794 0.76 OPRM1 (0.39) S1PR1ALDH1A1OPRM1AOC3CHRM2
SCHEMBL3819363 0.74 ATM (0.39) S1PR1OPRM1CHRM2CHRM1CHRM3
SCHEMBL3821795 0.73 GRIN2A (0.41) CNR2CNR1S1PR1OPRM1OPRD1
SCHEMBL4734946 0.73 LMNA (0.58) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3058165 0.71 CNR2 (0.51) CNR2CNR1ALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S CNR2 262/4885CNR1 221/4885MEN1 2337/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.